| CAS Number | 1038236-95-1 |
| Catalog Number | AG01B0AP |
| Chemical Name | 2-{[(2-Bromophenyl)methyl]amino}butan-1-ol |
| IUPAC Name | 2-[(2-bromophenyl)methylamino]butan-1-ol |
| InChI | InChI=1S/C11H16BrNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3 |
| InChI Key | CCLKOJUWZWDMPE-UHFFFAOYSA-N |
| MDL Number | MFCD11163843 |
| Molecular Formula | C11H16BrNO |
| Molecular Weight | 258.1548 |
| SMILES | CCC(NCC1=C(Br)C=CC=C1)CO |
| Synonyms | 2-{[(2-bromophenyl)methyl]amino}butan-1-ol,
1038236-95-1,
SCHEMBL11410389,
AKOS008855539,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.159g/mol |
| Monoisotopic Mass | 257.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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